SCHEMBL8235992

SCHEMBL8235992

CN(C)C(=O)C(NC(=O)OC(C)(C)C)c1cccc(C(F)(F)F)c1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KLRK1 P26718 16/20 0.59
MICA Q29983 16/20 0.59
RAET1L Q5VY80 15/20 0.59
RXFP1 Q9HBX9 1/20 0.45
NPSR1 Q6W5P4 1/20 0.44
TP53 P04637 1/20 0.44
CTSS P25774 1/20 0.44
CTSK P43235 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30117107 0.86 CTSS (0.49) KLRK1MICARAET1LRXFP1NPSR1
SCHEMBL381877 0.86 CTSS (0.49) KLRK1MICARAET1LRXFP1NPSR1
SCHEMBL20764658 0.86 CTSS (0.49) KLRK1MICARAET1LRXFP1NPSR1
SCHEMBL13168021 0.86 CTSS (0.49) KLRK1MICARAET1LRXFP1NPSR1
SCHEMBL17923268 0.86 KLRK1 (0.46) KLRK1MICARAET1LRXFP1CTSS
SCHEMBL18305550 0.85 RXFP1 (0.46) KLRK1MICARAET1LRXFP1NPSR1
SCHEMBL3919085 0.85 KLRK1 (0.64) KLRK1MICARAET1LTP53
SCHEMBL29072735 0.84 CTSS (0.50) KLRK1MICARAET1LRXFP1NPSR1
SCHEMBL8351861 0.83 CTSK (0.60) KLRK1MICARAET1LCTSSCTSK
SCHEMBL6917242 0.83 CTSS (0.49) KLRK1MICARAET1LRXFP1NPSR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130005704-A1 SUBSTITUTED ARYLIMIDAZOLONE AND TRIAZOLONE AS INHIBITORS OF VASOPRESSIN RECEPTORS BAYER PHARMA AKTIENGESELLSHAFT (DE) 2013-01-03 US disclosed
US-20130005704-A1 SUBSTITUTED ARYLIMIDAZOLONE AND TRIAZOLONE AS INHIBITORS OF VASOPRESSIN RECEPTORS BAYER PHARMA AKTIENGESELLSHAFT (DE) 2013-01-03 US disclosed
EP-2027096-B1 SUBSTITUTED ARYLIMIDAZ0L0NE AND TRIAZ0L0NE AS INHIBITORS OF VASOPRESSIN RECEPTORS Bayer Pharma AG (DE) 2012-05-23 EP disclosed
US-8084481-B2 Substituted arylimidazolone and triazolone as inhibitors of vasopressin receptors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-12-27 US disclosed
US-8084481-B2 Substituted arylimidazolone and triazolone as inhibitors of vasopressin receptors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-12-27 US disclosed
US-20090312381-A1 Substituted Arylimidazolone and Triazolone as Inhibitors of Vasopressin Receptors BAYER HEALTHCARE AG (DE) 2009-12-17 US disclosed
US-20090312381-A1 Substituted Arylimidazolone and Triazolone as Inhibitors of Vasopressin Receptors BAYER HEALTHCARE AG (DE) 2009-12-17 US disclosed
WO-2007134862-A1 SUBSTITUTED ARYLIMIDAZ0L0NE AND TRIAZ0L0NE AS INHIBITORS OF VASOPRESSIN RECEPTORS BAYER HEALTHCARE AG (DE) 2007-11-29 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090312381-A1 Substituted Arylimidazolone and Triazolone as Inhibitors of Vasopressin Receptors AVPR2, AVPR1A, AVPR1B KLRK1 2193/4885MICA 4479/4885RAET1L 3041/4885
US-20130005704-A1 SUBSTITUTED ARYLIMIDAZOLONE AND TRIAZOLONE AS INHIBITORS OF VASOPRESSIN RECEPTORS AVPR2, AVPR1A, AVPR1B KLRK1 2193/4885MICA 4479/4885RAET1L 3041/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.